{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.464710993, 0.0, 0.0, 0.0, 11.501180977, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507447742588, "energy": -50.02393867, "forces": {"__ndarray__": [[14, 3], "float64", [-0.005709, 0.002592, 0.0, 0.005709, -0.002592, -0.0, -0.005709, -0.002592, 0.0, 0.005709, 0.002592, -0.0, 0.005643, 0.002379, 0.0, -0.005643, -0.002379, -0.0, 0.005643, -0.002379, 0.0, -0.005643, 0.002379, -0.0, 0.006965, -0.000427, -0.0, -0.006965, 0.000427, 0.0, 0.006965, 0.000427, -0.0, -0.006965, -0.000427, -0.0, 0.0, -0.0, -0.0, -0.0, -0.0, -0.0]]}, "free_energy": -50.0914484, "key_value_pairs": {"E": 0.26099938071428574, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.049580606669487, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [3.73832, 9.12631, 10.0, 3.72639, 2.37487, 10.0, 0.00596, 8.12546, 10.0, 7.45875, 3.37572, 10.0, 2.34054, 4.33275, 10.0, 5.12417, 7.16843, 10.0, 6.0729, 1.41784, 10.0, 1.39181, 10.08334, 10.0, 1.37855, 1.40947, 10.0, 6.08616, 10.09172, 10.0, 5.1109, 4.34113, 10.0, 2.35381, 7.16006, 10.0, 0.0, 5.75059, 10.0, 3.73236, 0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-2.7462640153886337e-05, -1.67771765303742e-05, 0.0004998200508007312, -0.0, -0.0, -0.0]]}, "unique_id": "25740973d75c5d2ae2c6e5c52fb93bbf", "user": "yangxb"}, "ids": [1], "nextid": 2}